phosphorous acid;tris(2-sulfanylphenol)

C18H21O6PS3 — CID 70618537

IUPACphosphorous acid;tris(2-sulfanylphenol)
SMILESOP(O)O.Oc1ccccc1S.Oc1ccccc1S.Oc1ccccc1S
InChIInChI=1S/3C6H6OS.H3O3P/c3*7-5-3-1-2-4-6(5)8;1-4(2)3/h3*1-4,7-8H;1-3H
InChIKeyRWUMRZCSPRGGAS-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.23
Rot. Bonds

About phosphorous acid;tris(2-sulfanylphenol)

phosphorous acid;tris(2-sulfanylphenol) (PubChem CID 70618537) has the molecular formula C18H21O6PS3 and a molecular weight of 460.54 g/mol. Its IUPAC name is phosphorous acid;tris(2-sulfanylphenol).

Molecular Properties

Compound Namephosphorous acid;tris(2-sulfanylphenol)
PubChem CID70618537
Molecular FormulaC18H21O6PS3
Molecular Weight460.54 g/mol
Exact Mass460.02
IUPAC Namephosphorous acid;tris(2-sulfanylphenol)
SMILESOP(O)O.Oc1ccccc1S.Oc1ccccc1S.Oc1ccccc1S
InChIInChI=1S/3C6H6OS.H3O3P/c3*7-5-3-1-2-4-6(5)8;1-4(2)3/h3*1-4,7-8H;1-3H
InChIKeyRWUMRZCSPRGGAS-UHFFFAOYSA-N
XLogP4.23
TPSA121.38 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 54.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphorous acid;tris(2-sulfanylphenol)?
The IUPAC name of phosphorous acid;tris(2-sulfanylphenol) (CID 70618537) is phosphorous acid;tris(2-sulfanylphenol).
What is the SMILES notation for phosphorous acid;tris(2-sulfanylphenol)?
The canonical SMILES for phosphorous acid;tris(2-sulfanylphenol) is OP(O)O.Oc1ccccc1S.Oc1ccccc1S.Oc1ccccc1S.
What is the InChIKey of phosphorous acid;tris(2-sulfanylphenol)?
The InChIKey is RWUMRZCSPRGGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6OS.H3O3P/c3*7-5-3-1-2-4-6(5)8;1-4(2)3/h3*1-4,7-8H;1-3H.
What are the key properties of phosphorous acid;tris(2-sulfanylphenol)?
phosphorous acid;tris(2-sulfanylphenol) has a molecular weight of 460.54 g/mol, XLogP of 4.23, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;tris(2-sulfanylphenol) is sourced from PubChem (CID 70618537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).